HRID160268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6276

1-Pentanol

C5H12O

HCID69105

Propanedioic acid, oxo-, diethyl ester

C7H10O5

HCID703518

未命名化合物

结构：CCCCCOC(=O)c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2n1CC

HCID70153063

未命名化合物

PRODUCTS

生成物

结构：CCn1c(C(=O)O)nc2cc(S(=O)(=O)C(F)(F)F)ccc21

HCID18185363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-852765010d7b492db6c063ce26cf76f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:18]([O:19][C:20](=[O:21])[C:22](=[O:23])[C:24]([O:25][CH2:26][CH3:27])=[O:28])[CH3:29].[CH2:1]([NH:2][c:3]1[c:4]([NH2:5])[cH:6][c:7]([S:8]([C:9]([F:10])([F:11])[F:12])(=[O:13])=[O:14])[cH:15][cH:16]1)[CH3:17].[CH2:30]([CH2:31][CH2:32][CH2:33][CH3:34])[O:35][C:36](=[O:37])[c:38]1[n:39][c:40]2[c:41]([n:42]1[CH2:43][CH3:44])[cH:45][cH:46][c:47]([S:49](=[O:50])(=[O:51])[C:52]([F:53])([F:54])[F:55])[cH:48]2.[CH2:56]([OH:57])[CH2:58][CH2:59][CH2:60][CH3:61].[CH3:62][CH2:63][OH:64].[Na+:66].[OH-:65]>>[O:35]=[C:36]([OH:37])[c:38]1[n:39][c:40]2[c:41]([n:42]1[CH2:43][CH3:44])[cH:45][cH:46][c:47]([S:49](=[O:50])(=[O:51])[C:52]([F:53])([F:54])[F:55])[cH:48]2